#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0w s LEU 2 N 0.00 4.24 0.75 7.52 1.43 -1.26 -5.04 118.68 126.33 1y0w s LEU 2 Ca 0.00 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 1y0w s LEU 2 Cb 0.00 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1y0w s LEU 2 CO 0.00 -0.77 1.12 -0.94 0.23 0.00 0.00 176.35 175.99 1y0w s SER 3 N 2.20 4.95 0.25 2.29 1.04 -1.26 -4.87 113.70 118.30 1y0w s SER 3 Ca 0.60 0.89 -0.04 0.00 0.48 0.00 0.00 55.95 57.89 1y0w s SER 3 Cb -0.26 -1.54 0.41 0.00 0.10 0.00 0.00 66.02 64.73 1y0w s SER 3 CO 0.20 -1.62 1.81 -0.65 0.98 0.00 0.00 173.24 173.96 1y0w h PRO 4 N -0.82 0.78 -0.90 4.02 0.11 -2.00 -1.94 132.00 131.25 1y0w h PRO 4 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1y0w h PRO 4 Cb 1.30 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1y0w h PRO 4 CO 0.64 0.52 0.52 0.00 -0.21 0.00 0.00 178.00 179.47 1y0w h ALA 5 N 1.46 1.15 -0.30 -0.75 0.00 -1.99 -1.85 119.26 116.98 1y0w h ALA 5 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1y0w h ALA 5 Cb 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1y0w h ALA 5 CO -0.25 0.63 0.19 -0.44 0.00 0.00 0.00 179.25 179.39 1y0w h ASP 6 N 1.25 0.35 -0.60 0.00 3.32 -1.74 0.15 116.42 119.16 1y0w h ASP 6 Ca 0.32 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1y0w h ASP 6 Cb -0.01 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1y0w h ASP 6 CO -0.06 0.27 0.35 0.11 -1.72 0.00 0.00 179.24 178.19 1y0w h LYS 7 N 0.40 0.82 -0.45 3.56 1.57 -1.07 0.11 116.57 121.52 1y0w h LYS 7 Ca 0.11 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1y0w h LYS 7 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1y0w h LYS 7 CO -0.02 0.60 0.21 1.15 -0.57 0.00 0.00 179.45 180.82 1y0w h THR 8 N 0.81 1.19 -0.32 -0.16 2.02 -1.09 0.72 112.91 116.08 1y0w h THR 8 Ca 0.21 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1y0w h THR 8 Cb 0.00 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1y0w h THR 8 CO -0.04 0.21 0.19 0.78 0.37 0.00 0.00 175.52 177.03 1y0w h ASN 9 N 0.58 0.38 -0.22 4.18 2.35 -0.12 -1.03 115.58 121.70 1y0w h ASN 9 Ca 0.15 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1y0w h ASN 9 Cb 0.13 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1y0w h ASN 9 CO -0.02 0.33 0.04 0.58 -1.65 0.00 0.00 177.43 176.71 1y0w h VAL 10 N 0.41 1.23 -0.57 2.81 2.07 -0.52 -1.93 116.25 119.74 1y0w h VAL 10 Ca 0.11 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.95 1y0w h VAL 10 Cb 0.01 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1y0w h VAL 10 CO -0.02 0.23 0.27 0.11 0.02 0.00 0.00 177.57 178.19 1y0w h LYS 11 N 0.17 0.50 0.39 1.57 1.57 -0.71 -1.35 116.57 118.70 1y0w h LYS 11 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1y0w h LYS 11 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1y0w h LYS 11 CO 0.00 0.33 -0.19 0.00 -0.57 0.00 0.00 179.45 179.03 1y0w h ALA 12 N 1.33 -0.52 -0.43 3.86 0.00 -1.03 -0.27 119.26 122.19 1y0w h ALA 12 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1y0w h ALA 12 Cb 0.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1y0w h ALA 12 CO -0.20 -0.79 0.23 0.00 0.00 0.00 0.00 179.25 178.49 1y0w h ALA 13 N 0.07 0.55 -0.11 0.00 0.00 -1.25 -2.38 119.26 116.15 1y0w h ALA 13 Ca -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1y0w h ALA 13 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1y0w h ALA 13 CO 0.09 -0.12 -0.36 2.35 0.00 0.00 0.00 179.25 181.21 1y0w h TRP 14 N 0.46 0.25 -0.84 0.00 2.91 -1.16 -1.95 115.95 115.61 1y0w h TRP 14 Ca 0.18 -0.06 0.05 0.00 1.13 0.00 0.00 58.89 60.19 1y0w h TRP 14 Cb 0.07 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 28.61 1y0w h TRP 14 CO -0.09 0.55 0.55 0.78 -1.03 0.00 0.00 178.44 179.20 1y0w h GLY 15 N 1.13 1.20 2.00 2.65 0.00 -0.53 -1.73 103.07 107.79 1y0w h GLY 15 Ca 0.02 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1y0w h GLY 15 CO 0.05 0.32 -0.54 0.50 0.00 0.00 0.00 176.54 176.88 1y0w h LYS 16 N 1.00 0.00 -0.44 4.80 1.79 -1.04 -2.92 116.57 119.76 1y0w h LYS 16 Ca 0.35 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.86 1y0w h LYS 16 Cb 0.11 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1y0w h LYS 16 CO -0.11 0.54 0.20 0.28 -1.08 0.00 0.00 179.45 179.28 1y0w h VAL 17 N 0.00 0.93 0.00 0.50 2.07 -0.99 -3.45 116.25 115.32 1y0w h VAL 17 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1y0w h VAL 17 Cb 1.21 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1y0w h VAL 17 CO 0.07 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1y0w n GLY 18 N -1.24 3.13 0.00 2.17 0.00 -1.05 -1.58 105.19 106.63 1y0w n GLY 18 Ca 0.03 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1y0w n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0w n ALA 19 N 10.56 2.23 1.54 4.61 0.00 -1.26 -2.86 120.51 135.33 1y0w n ALA 19 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.47 1y0w n ALA 19 Cb 0.00 -1.39 0.60 0.00 0.00 0.00 0.00 19.45 18.66 1y0w n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0w n HIS 20 N -1.27 0.00 -0.18 0.00 8.25 -0.61 -4.50 115.22 116.91 1y0w n HIS 20 Ca 0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1y0w n HIS 20 Cb 0.18 -0.04 0.01 0.00 1.12 0.00 0.00 29.99 31.26 1y0w n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y0w h ALA 21 N 4.09 -0.02 -0.68 -1.41 0.00 -1.64 -0.34 119.26 119.26 1y0w h ALA 21 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1y0w h ALA 21 Cb 0.39 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1y0w h ALA 21 CO 0.00 -0.65 0.35 0.78 0.00 0.00 0.00 179.25 179.73 1y0w h GLY 22 N -0.17 1.00 1.01 0.00 0.00 -1.84 0.01 103.07 103.08 1y0w h GLY 22 Ca 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1y0w h GLY 22 CO -0.63 0.10 0.28 0.83 0.00 0.00 0.00 176.54 177.13 1y0w h GLU 23 N 0.62 0.96 -0.32 4.80 5.08 -1.50 -2.34 114.58 121.89 1y0w h GLU 23 Ca 0.32 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1y0w h GLU 23 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1y0w h GLU 23 CO -0.23 0.79 -0.32 1.88 -1.00 0.00 0.00 179.01 180.13 1y0w h TYR 24 N 0.92 0.82 -0.28 4.33 0.05 -0.54 -1.60 116.97 120.67 1y0w h TYR 24 Ca 0.22 -0.22 0.03 0.00 0.05 0.00 0.00 58.73 58.82 1y0w h TYR 24 Cb 0.17 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1y0w h TYR 24 CO 0.01 0.93 0.08 0.78 -1.05 0.00 0.00 178.16 178.91 1y0w h GLY 25 N 0.97 0.33 1.05 3.88 0.00 -0.84 -0.14 103.07 108.33 1y0w h GLY 25 Ca 0.07 -0.04 -0.07 0.00 0.00 0.00 0.00 47.33 47.29 1y0w h GLY 25 CO 0.07 0.01 0.16 0.00 0.00 0.00 0.00 176.54 176.78 1y0w h ALA 26 N 1.19 0.88 -0.58 3.60 0.00 -1.37 -1.87 119.26 121.11 1y0w h ALA 26 Ca 0.13 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1y0w h ALA 26 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1y0w h ALA 26 CO -0.15 0.60 -0.01 1.49 0.00 0.00 0.00 179.25 181.18 1y0w h GLU 27 N 0.99 1.03 -0.84 0.00 4.81 -0.97 -1.40 114.58 118.21 1y0w h GLU 27 Ca 0.21 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1y0w h GLU 27 Cb 0.37 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1y0w h GLU 27 CO 0.00 1.03 0.55 0.00 -0.73 0.00 0.00 179.01 179.86 1y0w h ALA 28 N 0.97 1.08 -0.02 2.92 0.00 -0.81 -0.12 119.26 123.29 1y0w h ALA 28 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y0w h ALA 28 Cb 0.57 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1y0w h ALA 28 CO 0.03 0.42 0.01 -0.07 0.00 0.00 0.00 179.25 179.63 1y0w h LEU 29 N 1.09 0.02 -0.54 0.00 3.38 -1.09 -0.42 115.31 117.75 1y0w h LEU 29 Ca 0.32 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1y0w h LEU 29 Cb -0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1y0w h LEU 29 CO -0.09 0.21 0.27 -0.08 0.09 0.00 0.00 178.44 178.84 1y0w h GLU 30 N -0.17 0.50 -0.89 1.13 4.81 -1.06 0.67 114.58 119.58 1y0w h GLU 30 Ca 0.01 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1y0w h GLU 30 Cb 0.20 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1y0w h GLU 30 CO -0.00 0.33 0.56 0.00 -0.73 0.00 0.00 179.01 179.18 1y0w h ARG 31 N 0.52 1.19 -0.28 1.92 3.08 -0.80 -2.27 114.38 117.75 1y0w h ARG 31 Ca 0.24 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1y0w h ARG 31 Cb 0.16 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1y0w h ARG 31 CO -0.17 0.81 0.15 1.98 -1.07 0.00 0.00 179.97 181.66 1y0w h MET 32 N 1.22 0.39 -0.77 0.04 4.05 0.18 -0.24 114.93 119.80 1y0w h MET 32 Ca 0.32 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1y0w h MET 32 Cb -0.10 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.59 1y0w h MET 32 CO -0.07 0.35 0.43 0.74 0.23 0.00 0.00 176.91 178.60 1y0w h PHE 33 N 0.33 1.04 0.08 1.39 0.04 -0.72 0.13 116.94 119.23 1y0w h PHE 33 Ca 0.10 -0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.65 1y0w h PHE 33 Cb 0.08 -0.34 0.02 0.00 2.20 0.00 0.00 35.95 37.92 1y0w h PHE 33 CO -0.03 0.72 -0.83 -0.07 -0.60 0.00 0.00 178.31 177.50 1y0w h LEU 34 N 1.07 0.59 -0.23 1.54 3.38 -1.34 -3.24 115.31 117.09 1y0w h LEU 34 Ca 0.27 -0.84 -0.21 0.00 0.09 0.00 0.00 57.88 57.19 1y0w h LEU 34 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1y0w h LEU 34 CO -0.05 1.38 -0.92 0.28 0.09 0.00 0.00 178.44 179.22 1y0w h SER 35 N -0.11 0.32 -2.35 -0.43 0.02 -0.95 -3.39 113.55 106.67 1y0w h SER 35 Ca -0.13 -0.26 -0.59 0.00 -0.84 0.00 0.00 61.79 59.97 1y0w h SER 35 Cb 1.57 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.62 1y0w h SER 35 CO 0.16 1.08 -0.86 0.49 -1.14 0.00 0.00 176.83 176.56 1y0w n PHE 36 N -3.66 1.01 0.27 3.45 3.72 0.46 -4.98 117.46 117.72 1y0w n PHE 36 Ca -0.04 -3.76 0.18 0.00 -0.05 0.00 0.00 57.45 53.78 1y0w n PHE 36 Cb 0.83 -0.27 0.92 0.00 -0.94 0.00 0.00 39.48 40.02 1y0w n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y0w h PRO 37 N 4.76 0.00 0.00 -1.08 0.11 -1.73 -0.52 132.00 133.55 1y0w h PRO 37 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1y0w h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1y0w h PRO 37 CO 0.56 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.13 1y0w h THR 38 N 0.00 0.21 0.00 -1.15 1.35 -1.91 -1.83 112.91 109.58 1y0w h THR 38 Ca 0.05 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1y0w h THR 38 Cb 0.43 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1y0w h THR 38 CO -0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1y0w h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.41 -2.70 112.91 116.98 1y0w h THR 39 Ca -0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1y0w h THR 39 Cb 0.09 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1y0w h THR 39 CO 0.00 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.35 1y0w h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.53 -2.80 116.57 118.53 1y0w h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y0w h LYS 40 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1y0w h LYS 40 CO 0.00 0.03 0.02 1.79 -0.57 0.00 0.00 179.45 180.72 1y0w h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.67 -0.54 112.91 111.88 1y0w h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y0w h THR 41 Cb 0.29 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1y0w h THR 41 CO 0.00 0.00 -0.28 -1.22 -0.25 0.00 0.00 175.52 173.78 1y0w n TYR 42 N -2.87 0.00 -2.55 4.73 4.01 -1.06 -4.31 117.16 115.11 1y0w n TYR 42 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1y0w n TYR 42 Cb 0.08 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 38.99 1y0w n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0w n PHE 43 N -0.74 2.25 0.30 -0.72 3.01 -0.21 -4.86 117.46 116.49 1y0w n PHE 43 Ca 0.12 -2.85 0.19 0.00 1.01 0.00 0.00 57.45 55.92 1y0w n PHE 43 Cb 0.34 -0.24 0.86 0.00 -0.01 0.00 0.00 39.48 40.44 1y0w n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0w h PRO 44 N 2.73 0.00 -0.00 -1.08 0.13 -1.75 -2.38 132.00 129.65 1y0w h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1y0w h PRO 44 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1y0w h PRO 44 CO 0.65 0.00 -0.10 -2.39 -0.23 0.00 0.00 178.00 175.93 1y0w n HIS 45 N -3.07 0.00 -3.74 1.56 1.44 -1.26 -4.88 115.22 105.27 1y0w n HIS 45 Ca -0.01 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1y0w n HIS 45 Cb 0.23 -0.16 -0.05 0.00 0.12 0.00 0.00 29.99 30.13 1y0w n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0w s PHE 46 N -2.42 3.49 -0.26 -1.40 0.40 -0.90 -5.05 117.98 111.85 1y0w s PHE 46 Ca 0.30 0.49 -0.28 0.00 -0.60 0.00 0.00 56.93 56.84 1y0w s PHE 46 Cb 0.20 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1y0w s PHE 46 CO 0.46 0.48 1.02 0.34 0.70 0.00 0.00 175.22 178.23 1y0w s ASP 47 N -2.39 7.02 -0.15 1.36 -1.08 -1.26 -4.94 116.67 115.23 1y0w s ASP 47 Ca 0.39 1.24 0.16 0.00 -0.52 0.00 0.00 52.55 53.81 1y0w s ASP 47 Cb -0.12 -2.53 0.60 0.00 -1.46 0.00 0.00 42.92 39.40 1y0w s ASP 47 CO 0.25 -0.71 1.51 0.18 0.52 0.00 0.00 175.17 176.92 1y0w n LEU 48 N 6.43 4.30 -4.79 -1.34 4.77 -1.26 -4.54 117.00 120.57 1y0w n LEU 48 Ca 0.11 -2.71 -0.31 0.00 -0.03 0.00 0.00 56.01 53.08 1y0w n LEU 48 Cb 0.46 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 1y0w n LEU 48 CO 0.53 0.71 0.70 -0.94 -1.33 0.00 0.00 177.39 177.07 1y0w s SER 49 N -1.33 4.79 0.19 -1.43 1.04 -1.26 -4.93 113.70 110.77 1y0w s SER 49 Ca 0.44 1.61 -0.32 0.00 0.48 0.00 0.00 55.95 58.16 1y0w s SER 49 Cb 0.32 -2.39 -0.12 0.00 0.10 0.00 0.00 66.02 63.93 1y0w s SER 49 CO 0.15 -1.82 1.74 1.57 0.98 0.00 0.00 173.24 175.86 1y0w n HIS 50 N -3.37 2.71 -1.03 5.02 -0.00 -1.26 -1.99 115.22 115.31 1y0w n HIS 50 Ca 0.08 0.02 -0.01 0.00 0.46 0.00 0.00 57.72 58.26 1y0w n HIS 50 Cb 0.54 -2.68 -0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1y0w n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y0w n GLY 51 N 3.99 0.47 3.72 1.57 0.00 -1.26 -5.02 105.19 108.67 1y0w n GLY 51 Ca 0.16 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1y0w n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y0w s SER 52 N -2.23 4.34 0.30 1.61 1.04 -0.84 -4.89 113.70 113.02 1y0w s SER 52 Ca 0.00 2.53 0.15 0.00 0.48 0.00 0.00 55.95 59.10 1y0w s SER 52 Cb 0.00 -2.61 0.36 0.00 0.10 0.00 0.00 66.02 63.87 1y0w s SER 52 CO 0.00 -2.18 1.58 0.00 0.98 0.00 0.00 173.24 173.62 1y0w h ALA 53 N 0.12 0.83 -0.32 5.32 0.00 -1.92 -2.70 119.26 120.59 1y0w h ALA 53 Ca -0.49 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 53.87 1y0w h ALA 53 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1y0w h ALA 53 CO 0.51 0.67 -0.03 1.96 0.00 0.00 0.00 179.25 182.37 1y0w h GLN 54 N 0.00 0.59 -0.38 0.00 4.20 -1.91 -1.33 115.11 116.27 1y0w h GLN 54 Ca -0.01 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1y0w h GLN 54 Cb 1.16 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1y0w h GLN 54 CO 0.07 0.74 0.17 0.28 -0.67 0.00 0.00 178.83 179.42 1y0w h VAL 55 N 0.38 1.18 0.06 -0.54 2.07 -1.78 -0.57 116.25 117.05 1y0w h VAL 55 Ca 0.09 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1y0w h VAL 55 Cb 0.49 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1y0w h VAL 55 CO 0.02 0.20 -0.11 0.11 0.02 0.00 0.00 177.57 177.81 1y0w h LYS 56 N 0.48 -0.21 -0.80 1.57 1.57 -1.43 0.30 116.57 118.04 1y0w h LYS 56 Ca 0.13 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1y0w h LYS 56 Cb 0.15 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1y0w h LYS 56 CO -0.01 -0.14 0.45 0.78 -0.57 0.00 0.00 179.45 179.95 1y0w h GLY 57 N -0.22 1.19 1.10 3.86 0.00 -1.08 -1.34 103.07 106.57 1y0w h GLY 57 Ca 0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1y0w h GLY 57 CO -0.06 0.51 -0.16 0.84 0.00 0.00 0.00 176.54 177.67 1y0w h HIS 58 N 1.11 1.15 -0.84 5.60 -0.00 -0.62 -2.48 115.15 119.08 1y0w h HIS 58 Ca 0.28 -0.26 0.09 0.00 -0.00 0.00 0.00 60.37 60.49 1y0w h HIS 58 Cb 0.02 -0.28 -0.07 0.00 -0.00 0.00 0.00 27.41 27.08 1y0w h HIS 58 CO 0.00 1.09 0.49 0.78 -0.00 0.00 0.00 177.93 180.29 1y0w h GLY 59 N 0.88 1.30 0.98 5.26 0.00 0.13 -0.64 103.07 110.99 1y0w h GLY 59 Ca 0.13 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1y0w h GLY 59 CO 0.06 0.15 0.20 1.70 0.00 0.00 0.00 176.54 178.65 1y0w h LYS 60 N 0.83 0.46 -0.51 4.80 3.64 -0.90 -0.81 116.57 124.07 1y0w h LYS 60 Ca 0.40 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1y0w h LYS 60 Cb 0.34 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1y0w h LYS 60 CO -0.24 0.35 0.32 0.87 -2.27 0.00 0.00 179.45 178.48 1y0w h LYS 61 N 0.44 0.62 0.05 1.90 1.57 -0.97 0.95 116.57 121.12 1y0w h LYS 61 Ca 0.12 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1y0w h LYS 61 Cb 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1y0w h LYS 61 CO -0.02 0.41 -0.02 0.28 -0.57 0.00 0.00 179.45 179.52 1y0w h VAL 62 N 0.64 1.06 -0.92 0.50 2.07 -0.99 -1.54 116.25 117.06 1y0w h VAL 62 Ca 0.20 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1y0w h VAL 62 Cb -0.02 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 1y0w h VAL 62 CO -0.07 0.09 0.59 0.00 0.02 0.00 0.00 177.57 178.20 1y0w h ALA 63 N 0.73 1.25 -0.56 1.67 0.00 -0.99 -1.88 119.26 119.47 1y0w h ALA 63 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1y0w h ALA 63 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1y0w h ALA 63 CO 0.01 0.41 0.00 -0.44 0.00 0.00 0.00 179.25 179.23 1y0w h ASP 64 N 1.11 0.94 -0.56 0.00 5.19 -0.57 -1.17 116.42 121.37 1y0w h ASP 64 Ca 0.39 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 1y0w h ASP 64 Cb 0.09 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 1y0w h ASP 64 CO -0.15 1.00 0.22 0.00 -3.12 0.00 0.00 179.24 177.18 1y0w h ALA 65 N 1.10 1.25 -0.45 3.45 0.00 -0.78 -1.70 119.26 122.14 1y0w h ALA 65 Ca 0.16 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1y0w h ALA 65 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1y0w h ALA 65 CO 0.03 0.54 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1y0w h LEU 66 N 0.87 0.80 -0.77 0.00 3.38 -1.00 -1.24 115.31 117.35 1y0w h LEU 66 Ca 0.20 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1y0w h LEU 66 Cb 0.21 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1y0w h LEU 66 CO -0.01 0.94 0.43 0.74 0.09 0.00 0.00 178.44 180.62 1y0w h THR 67 N 0.65 0.92 -0.37 0.22 2.02 -0.96 0.69 112.91 116.09 1y0w h THR 67 Ca 0.12 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 1y0w h THR 67 Cb 0.54 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1y0w h THR 67 CO 0.03 0.14 -0.11 -1.13 0.37 0.00 0.00 175.52 174.82 1y0w h ASN 68 N 0.75 0.62 -0.37 4.18 -1.24 -1.07 -1.12 115.58 117.34 1y0w h ASN 68 Ca 0.37 -0.17 -0.15 0.00 0.71 0.00 0.00 56.30 57.06 1y0w h ASN 68 Cb 0.31 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 1y0w h ASN 68 CO -0.23 0.76 -0.33 0.00 -1.29 0.00 0.00 177.43 176.33 1y0w h ALA 69 N 1.31 0.65 -0.45 1.57 0.00 0.11 -0.61 119.26 121.84 1y0w h ALA 69 Ca 0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1y0w h ALA 69 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1y0w h ALA 69 CO 0.03 0.67 0.13 0.28 0.00 0.00 0.00 179.25 180.36 1y0w h VAL 70 N 0.75 1.23 -0.04 0.00 2.07 -0.63 0.24 116.25 119.88 1y0w h VAL 70 Ca 0.07 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1y0w h VAL 70 Cb 0.91 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1y0w h VAL 70 CO 0.08 0.28 -0.32 0.00 0.02 0.00 0.00 177.57 177.63 1y0w h ALA 71 N 0.98 1.40 -0.74 1.67 0.00 -1.09 -2.89 119.26 118.59 1y0w h ALA 71 Ca 0.14 -0.31 -0.45 0.00 0.00 0.00 0.00 54.91 54.29 1y0w h ALA 71 Cb 0.29 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 17.76 1y0w h ALA 71 CO -0.00 0.44 0.23 0.72 0.00 0.00 0.00 179.25 180.64 1y0w n HIS 72 N -4.14 2.39 -0.08 0.00 8.25 -0.25 -4.81 115.22 116.59 1y0w n HIS 72 Ca -0.02 -2.14 0.24 0.00 -0.26 0.00 0.00 57.72 55.54 1y0w n HIS 72 Cb 0.38 -0.83 0.71 0.00 1.12 0.00 0.00 29.99 31.37 1y0w n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0w h VAL 73 N 1.19 0.64 -0.01 1.59 3.04 -0.74 0.17 116.25 122.13 1y0w h VAL 73 Ca 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.14 1y0w h VAL 73 Cb 1.72 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1y0w h VAL 73 CO 0.94 0.00 -0.11 0.47 -1.01 0.00 0.00 177.57 177.86 1y0w n ASP 74 N -4.30 0.95 -2.75 3.17 8.00 -1.26 -4.25 116.55 116.11 1y0w n ASP 74 Ca 0.14 -1.02 -0.03 0.00 0.71 0.00 0.00 54.79 54.58 1y0w n ASP 74 Cb 0.77 0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.96 1y0w n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y0w n ASP 75 N -0.48 0.50 -0.05 -2.24 2.03 0.03 -5.01 116.55 111.32 1y0w n ASP 75 Ca 0.16 -2.26 -0.09 0.00 0.52 0.00 0.00 54.79 53.13 1y0w n ASP 75 Cb 0.31 -0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 40.62 1y0w n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0w h MET 76 N 2.27 0.19 -0.90 -0.67 2.86 -1.68 -2.25 114.93 114.75 1y0w h MET 76 Ca -0.22 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.56 1y0w h MET 76 Cb 1.26 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.79 1y0w h MET 76 CO 0.14 0.13 0.50 -1.35 1.06 0.00 0.00 176.91 177.39 1y0w h PRO 77 N 0.20 0.71 -0.08 -0.22 0.11 -1.95 0.11 132.00 130.88 1y0w h PRO 77 Ca 0.10 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 1y0w h PRO 77 Cb 0.06 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1y0w h PRO 77 CO -0.10 0.47 -0.19 -0.91 -0.21 0.00 0.00 178.00 177.06 1y0w h ASN 78 N 0.73 0.30 0.08 -2.05 4.21 -1.90 -1.60 115.58 115.34 1y0w h ASN 78 Ca 0.48 -0.59 -0.01 0.00 1.21 0.00 0.00 56.30 57.39 1y0w h ASN 78 Cb 0.63 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1y0w h ASN 78 CO -0.34 0.83 -0.06 0.00 -1.29 0.00 0.00 177.43 176.57 1y0w h ALA 79 N 0.48 1.76 -0.27 -0.83 0.00 -0.77 -2.76 119.26 116.86 1y0w h ALA 79 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1y0w h ALA 79 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1y0w h ALA 79 CO 0.04 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.65 1y0w n LEU 80 N -4.27 3.41 -0.18 0.00 4.77 -0.05 -4.71 117.00 115.97 1y0w n LEU 80 Ca -0.03 -2.62 -0.03 0.00 -0.03 0.00 0.00 56.01 53.30 1y0w n LEU 80 Cb 0.15 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 40.89 1y0w n LEU 80 CO 0.33 0.69 1.04 0.77 -1.33 0.00 0.00 177.39 178.89 1y0w h SER 81 N 1.74 0.40 -0.38 -1.43 4.64 -0.98 -0.36 113.55 117.18 1y0w h SER 81 Ca 0.00 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1y0w h SER 81 Cb 1.14 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 1y0w h SER 81 CO 0.13 0.27 0.16 0.00 -0.87 0.00 0.00 176.83 176.52 1y0w h ALA 82 N 1.30 0.46 -0.21 5.18 0.00 -1.84 0.42 119.26 124.56 1y0w h ALA 82 Ca 0.25 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1y0w h ALA 82 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1y0w h ALA 82 CO -0.17 -0.22 -0.16 -0.07 0.00 0.00 0.00 179.25 178.63 1y0w h LEU 83 N 0.34 0.34 -0.44 0.00 3.38 -1.77 -0.83 115.31 116.33 1y0w h LEU 83 Ca 0.17 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1y0w h LEU 83 Cb 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1y0w h LEU 83 CO -0.14 0.53 0.01 -1.28 0.09 0.00 0.00 178.44 177.65 1y0w h SER 84 N 0.33 0.75 -0.27 -0.43 0.87 -0.55 -0.95 113.55 113.30 1y0w h SER 84 Ca 0.06 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 1y0w h SER 84 Cb 0.48 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1y0w h SER 84 CO 0.03 0.87 0.09 0.44 -0.53 0.00 0.00 176.83 177.73 1y0w h ASP 85 N 0.61 0.38 -0.10 6.23 3.32 -0.64 -2.06 116.42 124.17 1y0w h ASP 85 Ca 0.13 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1y0w h ASP 85 Cb 0.47 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 1y0w h ASP 85 CO 0.02 0.47 -0.17 0.25 -1.72 0.00 0.00 179.24 178.09 1y0w h LEU 86 N 0.27 -0.53 -0.68 1.55 5.85 -0.94 -1.27 115.31 119.56 1y0w h LEU 86 Ca 0.09 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1y0w h LEU 86 Cb 0.22 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1y0w h LEU 86 CO -0.00 -0.23 0.16 0.45 -0.34 0.00 0.00 178.44 178.49 1y0w h HIS 87 N -0.23 1.15 -0.16 1.25 3.86 -1.17 -1.89 115.15 117.96 1y0w h HIS 87 Ca 0.09 -0.14 -0.19 0.00 -1.16 0.00 0.00 60.37 58.97 1y0w h HIS 87 Cb 0.36 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1y0w h HIS 87 CO -0.27 0.94 -0.66 0.00 0.86 0.00 0.00 177.93 178.80 1y0w h ALA 88 N 1.07 0.54 0.00 2.45 0.00 -1.08 0.24 119.26 122.48 1y0w h ALA 88 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1y0w h ALA 88 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y0w h ALA 88 CO 0.00 0.71 -1.14 0.72 0.00 0.00 0.00 179.25 179.54 1y0w n HIS 89 N -3.93 0.00 0.03 0.00 8.25 -0.50 -4.61 115.22 114.47 1y0w n HIS 89 Ca -0.05 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1y0w n HIS 89 Cb 0.67 -0.16 -0.00 0.00 1.12 0.00 0.00 29.99 31.62 1y0w n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0w n LYS 90 N -1.66 0.03 -0.06 -0.41 4.81 -0.80 -4.88 118.16 115.19 1y0w n LYS 90 Ca -0.00 0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1y0w n LYS 90 Cb 0.27 -0.47 -0.06 0.00 0.02 0.00 0.00 35.03 34.79 1y0w n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0w h LEU 91 N -0.05 0.38 -1.72 3.14 3.38 -1.48 -3.48 115.31 115.48 1y0w h LEU 91 Ca 0.00 -0.41 -0.39 0.00 0.09 0.00 0.00 57.88 57.17 1y0w h LEU 91 Cb 0.05 -0.10 0.09 0.00 0.09 0.00 0.00 40.66 40.78 1y0w h LEU 91 CO 0.00 0.71 -0.81 0.54 0.09 0.00 0.00 178.44 178.97 1y0w n ARG 92 N -4.60 -5.47 -2.56 1.13 1.74 0.85 -4.93 116.66 102.81 1y0w n ARG 92 Ca -0.05 0.69 -0.42 0.00 -0.77 0.00 0.00 57.85 57.30 1y0w n ARG 92 Cb 0.31 -5.40 -0.03 0.00 -1.02 0.00 0.00 32.46 26.32 1y0w n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0w s VAL 93 N -3.57 4.44 0.27 1.55 1.01 -1.26 -4.97 120.40 117.87 1y0w s VAL 93 Ca 0.01 1.75 -0.31 0.00 0.00 0.00 0.00 61.98 63.44 1y0w s VAL 93 Cb -0.01 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 1y0w s VAL 93 CO 0.79 0.13 1.64 -0.67 0.00 0.00 0.00 175.10 176.98 1y0w n ASP 94 N 4.01 3.93 -0.03 3.32 -0.08 -1.26 -4.84 116.55 121.60 1y0w n ASP 94 Ca 0.08 1.12 0.24 0.00 -1.51 0.00 0.00 54.79 54.72 1y0w n ASP 94 Cb 0.48 -1.59 0.71 0.00 2.34 0.00 0.00 41.12 43.06 1y0w n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1y0w h PRO 95 N 5.36 0.00 0.00 -0.67 0.11 -2.00 -1.22 132.00 133.59 1y0w h PRO 95 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1y0w h PRO 95 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1y0w h PRO 95 CO 0.84 0.00 -0.08 0.28 -0.21 0.00 0.00 178.00 178.83 1y0w h VAL 96 N 0.00 0.61 0.00 3.15 2.07 -2.04 -2.69 116.25 117.35 1y0w h VAL 96 Ca 0.30 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1y0w h VAL 96 Cb 1.47 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1y0w h VAL 96 CO -0.00 0.08 -0.05 0.78 0.02 0.00 0.00 177.57 178.40 1y0w h ASN 97 N 0.00 0.00 -0.24 0.57 4.21 -1.58 -3.07 115.58 115.47 1y0w h ASN 97 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1y0w h ASN 97 Cb 0.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.40 1y0w h ASN 97 CO 0.01 0.05 -0.07 -0.26 -1.29 0.00 0.00 177.43 175.87 1y0w h PHE 98 N 0.00 0.65 -0.58 1.19 -1.00 -1.66 -1.31 116.94 114.23 1y0w h PHE 98 Ca -0.00 -0.09 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1y0w h PHE 98 Cb 0.82 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 1y0w h PHE 98 CO 0.00 0.67 0.18 0.87 -1.61 0.00 0.00 178.31 178.42 1y0w h LYS 99 N 0.57 0.87 -0.17 1.51 1.57 -1.71 -1.36 116.57 117.85 1y0w h LYS 99 Ca 0.11 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1y0w h LYS 99 Cb 0.47 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1y0w h LYS 99 CO 0.02 0.75 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.42 1y0w h LEU 100 N 0.85 0.43 -0.65 2.94 3.38 -1.37 -1.66 115.31 119.23 1y0w h LEU 100 Ca 0.19 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1y0w h LEU 100 Cb 0.24 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1y0w h LEU 100 CO -0.01 0.82 0.24 0.25 0.09 0.00 0.00 178.44 179.83 1y0w h LEU 101 N 0.06 0.92 -0.09 1.67 5.85 -1.29 -2.57 115.31 119.85 1y0w h LEU 101 Ca 0.03 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1y0w h LEU 101 Cb 0.69 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1y0w h LEU 101 CO 0.04 0.86 -0.02 0.28 -0.34 0.00 0.00 178.44 179.26 1y0w h SER 102 N 0.93 -0.07 -0.57 1.25 0.02 -1.12 0.33 113.55 114.32 1y0w h SER 102 Ca 0.22 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.27 1y0w h SER 102 Cb 0.24 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1y0w h SER 102 CO -0.01 -0.02 0.23 -0.74 -1.14 0.00 0.00 176.83 175.14 1y0w h HIS 103 N 0.01 0.41 -0.07 3.45 -0.00 -1.24 -0.83 115.15 116.87 1y0w h HIS 103 Ca 0.04 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 1y0w h HIS 103 Cb 0.06 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1y0w h HIS 103 CO -0.14 0.14 -0.23 0.00 -0.00 0.00 0.00 177.93 177.70 1y0w h LEU 105 N 0.11 0.76 -0.56 0.00 -0.00 -0.12 -1.74 115.31 113.76 1y0w h LEU 105 Ca 0.02 -0.40 -0.01 0.00 -0.00 0.00 0.00 57.88 57.49 1y0w h LEU 105 Cb 0.47 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.90 1y0w h LEU 105 CO 0.03 0.99 0.30 -0.07 -0.00 0.00 0.00 178.44 179.69 1y0w h LEU 106 N 0.54 0.71 -0.82 1.67 3.38 -0.54 -0.41 115.31 119.83 1y0w h LEU 106 Ca 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1y0w h LEU 106 Cb 0.69 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1y0w h LEU 106 CO 0.05 0.61 0.37 0.58 0.09 0.00 0.00 178.44 180.13 1y0w h VAL 107 N 0.75 1.26 -0.32 1.22 2.07 -1.14 0.12 116.25 120.21 1y0w h VAL 107 Ca 0.20 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 1y0w h VAL 107 Cb 0.06 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1y0w h VAL 107 CO -0.03 0.32 0.18 0.74 0.02 0.00 0.00 177.57 178.80 1y0w h THR 108 N 1.18 1.12 0.10 2.57 2.02 -0.87 0.16 112.91 119.19 1y0w h THR 108 Ca 0.28 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1y0w h THR 108 Cb 0.16 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1y0w h THR 108 CO -0.03 0.12 -0.05 -0.07 0.37 0.00 0.00 175.52 175.86 1y0w h LEU 109 N 0.40 -0.11 -0.84 2.58 3.38 -0.74 -1.12 115.31 118.86 1y0w h LEU 109 Ca 0.11 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1y0w h LEU 109 Cb 0.03 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1y0w h LEU 109 CO -0.02 0.04 0.43 0.00 0.09 0.00 0.00 178.44 178.98 1y0w h ALA 110 N 0.63 1.25 0.00 1.53 0.00 -0.64 0.24 119.26 122.27 1y0w h ALA 110 Ca -0.01 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1y0w h ALA 110 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y0w h ALA 110 CO 0.02 -0.09 -0.44 0.00 0.00 0.00 0.00 179.25 178.75 1y0w h ALA 111 N 1.55 1.23 0.00 0.00 0.00 -0.54 -3.28 119.26 118.23 1y0w h ALA 111 Ca 0.45 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y0w h ALA 111 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1y0w h ALA 111 CO -0.36 0.55 -1.76 0.72 0.00 0.00 0.00 179.25 178.41 1y0w n HIS 112 N -3.96 0.00 -3.14 0.00 8.25 -0.46 -4.69 115.22 111.22 1y0w n HIS 112 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.18 1y0w n HIS 112 Cb 0.47 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1y0w n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y0w n LEU 113 N -2.08 3.71 0.14 2.41 4.77 0.71 -4.97 117.00 121.70 1y0w n LEU 113 Ca -0.03 -5.50 -0.13 0.00 -0.03 0.00 0.00 56.01 50.32 1y0w n LEU 113 Cb 0.47 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1y0w n LEU 113 CO 0.39 2.24 0.66 -0.65 -1.33 0.00 0.00 177.39 178.70 1y0w h PRO 114 N 3.44 -0.53 -0.55 3.23 0.11 -1.81 -1.75 132.00 134.15 1y0w h PRO 114 Ca 0.15 0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1y0w h PRO 114 Cb 0.61 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 1y0w h PRO 114 CO 0.78 -0.35 0.27 0.00 -0.21 0.00 0.00 178.00 178.48 1y0w h ALA 115 N 0.09 1.44 0.00 -0.75 0.00 -1.93 -2.74 119.26 115.37 1y0w h ALA 115 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1y0w h ALA 115 Cb 0.56 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1y0w h ALA 115 CO -0.15 0.45 -0.01 0.93 0.00 0.00 0.00 179.25 180.47 1y0w h GLU 116 N 0.77 0.00 -3.01 0.00 3.07 -1.86 -3.39 114.58 110.15 1y0w h GLU 116 Ca 0.19 0.00 -0.76 0.00 -0.50 0.00 0.00 59.36 58.30 1y0w h GLU 116 Cb 0.08 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.84 1y0w h GLU 116 CO -0.03 0.00 2.08 0.34 -1.40 0.00 0.00 179.01 180.00 1y0w n PHE 117 N -2.55 2.71 -1.86 4.33 7.35 -0.70 -4.81 117.46 121.94 1y0w n PHE 117 Ca 0.05 -2.78 -0.30 0.00 -0.76 0.00 0.00 57.45 53.66 1y0w n PHE 117 Cb 0.46 -1.82 0.03 0.00 0.35 0.00 0.00 39.48 38.51 1y0w n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0w s THR 118 N -0.73 3.97 0.26 -2.13 -4.23 -1.26 -4.77 115.64 106.75 1y0w s THR 118 Ca 0.45 0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 61.58 1y0w s THR 118 Cb 0.14 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.61 1y0w s THR 118 CO -0.04 -0.83 1.69 -0.65 -0.54 0.00 0.00 174.62 174.25 1y0w h PRO 119 N -0.53 0.32 -0.27 3.99 0.11 -1.98 0.30 132.00 133.93 1y0w h PRO 119 Ca -0.45 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1y0w h PRO 119 Cb 1.23 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1y0w h PRO 119 CO 0.63 0.21 -0.41 0.00 -0.21 0.00 0.00 178.00 178.22 1y0w h ALA 120 N 1.64 0.77 -0.28 -0.75 0.00 -1.97 -1.46 119.26 117.21 1y0w h ALA 120 Ca 0.47 -0.45 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 1y0w h ALA 120 Cb 0.82 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1y0w h ALA 120 CO -0.51 0.66 -0.56 0.28 0.00 0.00 0.00 179.25 179.11 1y0w h VAL 121 N 0.54 1.27 -0.53 0.00 2.07 -1.65 -1.67 116.25 116.28 1y0w h VAL 121 Ca 0.04 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 65.89 1y0w h VAL 121 Cb 0.94 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 1y0w h VAL 121 CO 0.08 0.57 0.22 -0.74 0.02 0.00 0.00 177.57 177.72 1y0w h HIS 122 N 0.66 0.39 -0.10 1.57 6.17 -0.34 -0.84 115.15 122.66 1y0w h HIS 122 Ca 0.01 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.11 1y0w h HIS 122 Cb 1.18 -0.09 -0.00 0.00 2.52 0.00 0.00 27.41 31.01 1y0w h HIS 122 CO 0.07 0.14 0.06 0.00 0.71 0.00 0.00 177.93 178.92 1y0w h ALA 123 N 1.34 0.13 -0.56 5.26 0.00 -1.03 -1.82 119.26 122.58 1y0w h ALA 123 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y0w h ALA 123 Cb 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1y0w h ALA 123 CO -0.23 -0.37 0.24 0.77 0.00 0.00 0.00 179.25 179.66 1y0w h SER 124 N 0.11 0.75 -0.81 0.00 0.02 -1.00 -2.20 113.55 110.41 1y0w h SER 124 Ca 0.04 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1y0w h SER 124 Cb 0.02 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 1y0w h SER 124 CO -0.01 0.70 0.40 -0.07 -1.14 0.00 0.00 176.83 176.71 1y0w h LEU 125 N 0.76 1.06 -0.66 5.07 3.38 -1.06 -0.65 115.31 123.20 1y0w h LEU 125 Ca 0.19 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1y0w h LEU 125 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1y0w h LEU 125 CO -0.02 0.89 0.08 -0.78 0.09 0.00 0.00 178.44 178.70 1y0w h ASP 126 N 1.15 1.08 -0.66 -0.43 3.58 -1.12 -0.50 116.42 119.52 1y0w h ASP 126 Ca 0.28 -0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.38 1y0w h ASP 126 Cb 0.10 -0.29 -0.03 0.00 1.72 0.00 0.00 39.33 40.84 1y0w h ASP 126 CO -0.04 1.08 0.10 0.11 -2.88 0.00 0.00 179.24 177.61 1y0w h LYS 127 N 1.04 1.09 -0.12 0.28 1.57 -1.18 -1.33 116.57 117.93 1y0w h LYS 127 Ca 0.20 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1y0w h LYS 127 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1y0w h LYS 127 CO 0.02 1.00 0.02 0.35 -0.57 0.00 0.00 179.45 180.28 1y0w h PHE 128 N 1.01 0.20 -0.65 -1.35 3.57 -0.84 -0.33 116.94 118.55 1y0w h PHE 128 Ca 0.20 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1y0w h PHE 128 Cb 0.44 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1y0w h PHE 128 CO 0.03 0.36 0.33 -0.07 -2.23 0.00 0.00 178.31 176.74 1y0w h LEU 129 N -0.02 0.81 -0.69 0.59 3.38 -0.99 -1.00 115.31 117.38 1y0w h LEU 129 Ca 0.04 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1y0w h LEU 129 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1y0w h LEU 129 CO 0.00 0.67 0.21 0.00 0.09 0.00 0.00 178.44 179.41 1y0w h ALA 130 N 1.46 0.91 -0.48 1.53 0.00 -1.02 -0.66 119.26 121.00 1y0w h ALA 130 Ca 0.23 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1y0w h ALA 130 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1y0w h ALA 130 CO -0.03 0.60 -0.22 0.77 0.00 0.00 0.00 179.25 180.36 1y0w h SER 131 N 1.02 1.03 -0.46 0.00 0.02 -0.51 -0.34 113.55 114.32 1y0w h SER 131 Ca 0.22 -0.40 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1y0w h SER 131 Cb 0.31 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1y0w h SER 131 CO -0.01 1.20 0.29 0.58 -1.14 0.00 0.00 176.83 177.76 1y0w h VAL 132 N 0.86 1.10 -0.51 2.27 2.07 -1.00 -1.06 116.25 119.98 1y0w h VAL 132 Ca 0.11 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1y0w h VAL 132 Cb 0.80 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1y0w h VAL 132 CO 0.07 0.11 0.32 0.28 0.02 0.00 0.00 177.57 178.37 1y0w h SER 133 N 0.60 0.59 -0.49 0.57 0.02 -0.88 -0.32 113.55 113.64 1y0w h SER 133 Ca 0.17 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1y0w h SER 133 Cb -0.05 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.29 1y0w h SER 133 CO -0.05 0.45 0.21 0.74 -1.14 0.00 0.00 176.83 177.04 1y0w h THR 134 N 0.68 0.90 -0.36 -2.27 2.02 -0.87 -1.70 112.91 111.31 1y0w h THR 134 Ca 0.18 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 1y0w h THR 134 Cb -0.05 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1y0w h THR 134 CO -0.04 0.08 0.12 0.58 0.37 0.00 0.00 175.52 176.62 1y0w h VAL 135 N 0.42 1.21 0.00 3.16 2.07 -0.61 -1.56 116.25 120.93 1y0w h VAL 135 Ca 0.22 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1y0w h VAL 135 Cb 0.18 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1y0w h VAL 135 CO -0.19 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.56 1y0w h LEU 136 N 0.43 0.00 -2.93 2.57 3.38 -0.68 -2.72 115.31 115.35 1y0w h LEU 136 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1y0w h LEU 136 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1y0w h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1y0w n THR 137 N -2.52 1.10 0.26 0.22 -2.24 -0.68 -4.52 114.28 105.90 1y0w n THR 137 Ca 0.00 -1.08 0.16 0.00 -2.27 0.00 0.00 64.05 60.87 1y0w n THR 137 Cb 0.18 0.44 0.55 0.00 -2.10 0.00 0.00 70.33 69.41 1y0w n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y0w h SER 138 N 1.56 0.00 -0.44 3.42 4.64 -0.96 -3.12 113.55 118.66 1y0w h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y0w h SER 138 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1y0w h SER 138 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1y0w n LYS 139 N -3.09 3.51 0.15 4.77 5.02 -1.26 -4.67 118.16 122.59 1y0w n LYS 139 Ca 0.01 -2.79 0.04 0.00 -2.02 0.00 0.00 58.31 53.56 1y0w n LYS 139 Cb 0.36 -1.84 0.47 0.00 -0.02 0.00 0.00 35.03 34.00 1y0w n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y0w h TYR 140 N 2.86 0.19 0.00 2.13 -1.99 -1.86 -3.46 116.97 114.83 1y0w h TYR 140 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1y0w h TYR 140 Cb 1.43 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1y0w h TYR 140 CO 0.64 0.25 0.00 2.89 -0.00 0.00 0.00 178.16 181.94